CID 2774089

2,2-difluoroethyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₃H₃F₅O₃S

SMILES

C(C(F)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3H3F5O3S/c4-2(5)1-11-12(9,10)3(6,7)8/h2H,1H2

InChIKey

NKULBUOBGILEAR-UHFFFAOYSA-N

Compound name

2,2-difluoroethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3778
Patents: 213.9723 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.97958	130.5
[M+Na]+	236.96152	139.7
[M-H]-	212.96502	124.9
[M+NH4]+	232.00612	149.2
[M+K]+	252.93546	138.5
[M+H-H2O]+	196.96956	122.1
[M+HCOO]-	258.97050	141.5
[M+CH3COO]-	272.98615	181.2
[M+Na-2H]-	234.94697	133.3
[M]+	213.97175	127.6
[M]-	213.97285	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe